(3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol

C14H15FN2O — CID 66140450

IUPAC(3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cncn1C1CC1
InChIInChI=1S/C14H15FN2O/c1-9-2-3-10(15)6-12(9)14(18)13-7-16-8-17(13)11-4-5-11/h2-3,6-8,11,14,18H,4-5H2,1H3
InChIKeyNNQMKDZGJJGEPO-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.75
Rot. Bonds3

About (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol

(3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 66140450) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID66140450
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name(3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cncn1C1CC1
InChIInChI=1S/C14H15FN2O/c1-9-2-3-10(15)6-12(9)14(18)13-7-16-8-17(13)11-4-5-11/h2-3,6-8,11,14,18H,4-5H2,1H3
InChIKeyNNQMKDZGJJGEPO-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
(3-Methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol
CID 619964
[1-methyl-2-(propan-2-yl)-1H-imidazol-5-yl](phenyl)methanol
CID 3291165
1-(3-Benzyl-2-methylimidazol-4-yl)-1-(2-methylphenyl)ethanol
CID 304292
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium
CID 3240397
(4-methylphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)phenylmethanol
CID 3932949
(3-Methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol
CID 2881890
(3-Methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol
CID 2891022
1-Imidazoleethanol, alpha-(2,3,5,6-tetramethylphenyl)-
CID 3057035
1H-Imidazole-4-methanol, alpha-(2,6-dimethylphenyl)-
CID 3061228
Benzenemethanol, alpha-(((1-methyl-1H-imidazol-4-yl)methoxy)methyl)-
CID 3076605

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol (CID 66140450) is (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1cncn1C1CC1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is NNQMKDZGJJGEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-2-3-10(15)6-12(9)14(18)13-7-16-8-17(13)11-4-5-11/h2-3,6-8,11,14,18H,4-5H2,1H3.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
(3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 246.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 66140450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).